###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30828
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 1D . . . 30828 1
2 '2D 1H-1H TOCSY' . . . 30828 1
3 '2D 1H-1H NOESY' . . . 30828 1
4 '2D 1H-15N HSQC' . . . 30828 1
5 '2D 1H-13C HSQC' . . . 30828 1
6 '2D 1H-1H TOCSY' . . . 30828 1
7 '2D 1H-1H TOCSY' . . . 30828 1
8 '2D 1H-1H TOCSY' . . . 30828 1
9 '2D 1H-1H TOCSY' . . . 30828 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 GLY H H 1 7.626 0.003 . . . . . A A 1 GLY H1 . 30828 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.561 0.003 . . . . . A A 1 GLY HA2 . 30828 1
3 . 1 . 1 1 1 GLY HA3 H 1 4.321 0.000 . . . . . A A 1 GLY HA3 . 30828 1
4 . 1 . 1 1 1 GLY CA C 13 44.311 0.000 . . . . . A A 1 GLY CA . 30828 1
5 . 1 . 1 1 1 GLY N N 15 106.509 0.000 . . . . . A A 1 GLY N . 30828 1
6 . 1 . 1 2 2 PHE H H 1 7.728 0.002 . . . . . A A 2 PHE H . 30828 1
7 . 1 . 1 2 2 PHE HA H 1 4.464 0.000 . . . . . A A 2 PHE HA . 30828 1
8 . 1 . 1 2 2 PHE HB2 H 1 2.537 0.003 . . . . . A A 2 PHE HB2 . 30828 1
9 . 1 . 1 2 2 PHE HB3 H 1 1.886 0.003 . . . . . A A 2 PHE HB3 . 30828 1
10 . 1 . 1 2 2 PHE HD1 H 1 6.566 0.003 . . . . . A A 2 PHE HD1 . 30828 1
11 . 1 . 1 2 2 PHE HD2 H 1 6.566 0.003 . . . . . A A 2 PHE HD2 . 30828 1
12 . 1 . 1 2 2 PHE HE1 H 1 6.867 0.011 . . . . . A A 2 PHE HE1 . 30828 1
13 . 1 . 1 2 2 PHE HE2 H 1 6.867 0.011 . . . . . A A 2 PHE HE2 . 30828 1
14 . 1 . 1 2 2 PHE CB C 13 41.905 0.000 . . . . . A A 2 PHE CB . 30828 1
15 . 1 . 1 2 2 PHE N N 15 117.007 0.000 . . . . . A A 2 PHE N . 30828 1
16 . 1 . 1 3 3 CYS H H 1 7.582 0.003 . . . . . A A 3 CYS H . 30828 1
17 . 1 . 1 3 3 CYS HA H 1 5.242 0.003 . . . . . A A 3 CYS HA . 30828 1
18 . 1 . 1 3 3 CYS HB2 H 1 2.720 0.003 . . . . . A A 3 CYS HB2 . 30828 1
19 . 1 . 1 3 3 CYS HB3 H 1 2.575 0.003 . . . . . A A 3 CYS HB3 . 30828 1
20 . 1 . 1 3 3 CYS CA C 13 55.436 0.000 . . . . . A A 3 CYS CA . 30828 1
21 . 1 . 1 3 3 CYS CB C 13 48.032 0.000 . . . . . A A 3 CYS CB . 30828 1
22 . 1 . 1 4 4 TRP H H 1 8.817 0.006 . . . . . A A 4 TRP H . 30828 1
23 . 1 . 1 4 4 TRP HA H 1 4.501 0.000 . . . . . A A 4 TRP HA . 30828 1
24 . 1 . 1 4 4 TRP HB2 H 1 3.034 0.003 . . . . . A A 4 TRP HB2 . 30828 1
25 . 1 . 1 4 4 TRP HB3 H 1 2.971 0.003 . . . . . A A 4 TRP HB3 . 30828 1
26 . 1 . 1 4 4 TRP HD1 H 1 7.099 0.002 . . . . . A A 4 TRP HD1 . 30828 1
27 . 1 . 1 4 4 TRP HE1 H 1 9.898 0.003 . . . . . A A 4 TRP HE1 . 30828 1
28 . 1 . 1 4 4 TRP HE3 H 1 7.571 0.003 . . . . . A A 4 TRP HE3 . 30828 1
29 . 1 . 1 4 4 TRP HZ2 H 1 7.303 0.003 . . . . . A A 4 TRP HZ2 . 30828 1
30 . 1 . 1 4 4 TRP HZ3 H 1 7.073 0.003 . . . . . A A 4 TRP HZ3 . 30828 1
31 . 1 . 1 4 4 TRP HH2 H 1 7.074 0.003 . . . . . A A 4 TRP HH2 . 30828 1
32 . 1 . 1 4 4 TRP CB C 13 31.413 0.000 . . . . . A A 4 TRP CB . 30828 1
33 . 1 . 1 4 4 TRP N N 15 122.417 0.000 . . . . . A A 4 TRP N . 30828 1
34 . 1 . 1 5 5 HIS H H 1 8.751 0.004 . . . . . A A 5 HIS H . 30828 1
35 . 1 . 1 5 5 HIS HA H 1 3.758 0.000 . . . . . A A 5 HIS HA . 30828 1
36 . 1 . 1 5 5 HIS HB2 H 1 3.034 0.003 . . . . . A A 5 HIS HB2 . 30828 1
37 . 1 . 1 5 5 HIS HB3 H 1 2.816 0.003 . . . . . A A 5 HIS HB3 . 30828 1
38 . 1 . 1 5 5 HIS HD2 H 1 6.332 0.003 . . . . . A A 5 HIS HD2 . 30828 1
39 . 1 . 1 5 5 HIS HE1 H 1 8.390 0.000 . . . . . A A 5 HIS HE1 . 30828 1
40 . 1 . 1 5 5 HIS CA C 13 55.706 0.000 . . . . . A A 5 HIS CA . 30828 1
41 . 1 . 1 5 5 HIS CB C 13 26.151 0.000 . . . . . A A 5 HIS CB . 30828 1
42 . 1 . 1 5 5 HIS N N 15 122.438 0.000 . . . . . A A 5 HIS N . 30828 1
43 . 1 . 1 6 6 HIS H H 1 8.385 0.003 . . . . . A A 6 HIS H . 30828 1
44 . 1 . 1 6 6 HIS HA H 1 4.209 0.000 . . . . . A A 6 HIS HA . 30828 1
45 . 1 . 1 6 6 HIS HB2 H 1 3.440 0.003 . . . . . A A 6 HIS HB2 . 30828 1
46 . 1 . 1 6 6 HIS HB3 H 1 3.358 0.003 . . . . . A A 6 HIS HB3 . 30828 1
47 . 1 . 1 6 6 HIS HD2 H 1 7.120 0.000 . . . . . A A 6 HIS HD2 . 30828 1
48 . 1 . 1 6 6 HIS HE1 H 1 8.503 0.000 . . . . . A A 6 HIS HE1 . 30828 1
49 . 1 . 1 6 6 HIS CB C 13 27.094 0.000 . . . . . A A 6 HIS CB . 30828 1
50 . 1 . 1 6 6 HIS N N 15 110.037 0.000 . . . . . A A 6 HIS N . 30828 1
51 . 1 . 1 7 7 SER H H 1 7.872 0.003 . . . . . A A 7 SER H . 30828 1
52 . 1 . 1 7 7 SER HA H 1 4.722 0.000 . . . . . A A 7 SER HA . 30828 1
53 . 1 . 1 7 7 SER HB2 H 1 3.911 0.003 . . . . . A A 7 SER HB2 . 30828 1
54 . 1 . 1 7 7 SER HB3 H 1 3.824 0.003 . . . . . A A 7 SER HB3 . 30828 1
55 . 1 . 1 7 7 SER N N 15 115.511 0.000 . . . . . A A 7 SER N . 30828 1
56 . 1 . 1 8 8 CYS H H 1 8.568 0.003 . . . . . A A 8 CYS H . 30828 1
57 . 1 . 1 8 8 CYS HA H 1 5.639 0.003 . . . . . A A 8 CYS HA . 30828 1
58 . 1 . 1 8 8 CYS HB2 H 1 2.860 0.006 . . . . . A A 8 CYS HB2 . 30828 1
59 . 1 . 1 8 8 CYS HB3 H 1 2.860 0.006 . . . . . A A 8 CYS HB3 . 30828 1
60 . 1 . 1 8 8 CYS CA C 13 55.517 0.000 . . . . . A A 8 CYS CA . 30828 1
61 . 1 . 1 8 8 CYS CB C 13 48.008 0.000 . . . . . A A 8 CYS CB . 30828 1
62 . 1 . 1 8 8 CYS N N 15 121.989 0.000 . . . . . A A 8 CYS N . 30828 1
63 . 1 . 1 9 9 VAL H H 1 8.940 0.003 . . . . . A A 9 VAL H . 30828 1
64 . 1 . 1 9 9 VAL HA H 1 4.727 0.000 . . . . . A A 9 VAL HA . 30828 1
65 . 1 . 1 9 9 VAL HB H 1 2.240 0.005 . . . . . A A 9 VAL HB . 30828 1
66 . 1 . 1 9 9 VAL HG11 H 1 0.991 0.003 . . . . . A A 9 VAL HG11 . 30828 1
67 . 1 . 1 9 9 VAL HG12 H 1 0.991 0.003 . . . . . A A 9 VAL HG12 . 30828 1
68 . 1 . 1 9 9 VAL HG13 H 1 0.991 0.003 . . . . . A A 9 VAL HG13 . 30828 1
69 . 1 . 1 9 9 VAL HG21 H 1 0.840 0.003 . . . . . A A 9 VAL HG21 . 30828 1
70 . 1 . 1 9 9 VAL HG22 H 1 0.840 0.003 . . . . . A A 9 VAL HG22 . 30828 1
71 . 1 . 1 9 9 VAL HG23 H 1 0.840 0.003 . . . . . A A 9 VAL HG23 . 30828 1
72 . 1 . 1 9 9 VAL CA C 13 57.727 0.000 . . . . . A A 9 VAL CA . 30828 1
73 . 1 . 1 9 9 VAL CB C 13 32.229 0.000 . . . . . A A 9 VAL CB . 30828 1
74 . 1 . 1 9 9 VAL N N 15 116.515 0.000 . . . . . A A 9 VAL N . 30828 1
75 . 1 . 1 10 10 PRO HA H 1 4.579 0.000 . . . . . A A 10 PRO HA . 30828 1
76 . 1 . 1 10 10 PRO HB2 H 1 2.336 0.003 . . . . . A A 10 PRO HB2 . 30828 1
77 . 1 . 1 10 10 PRO HB3 H 1 2.016 0.007 . . . . . A A 10 PRO HB3 . 30828 1
78 . 1 . 1 10 10 PRO HG2 H 1 2.032 0.008 . . . . . A A 10 PRO HG2 . 30828 1
79 . 1 . 1 10 10 PRO HG3 H 1 1.909 0.000 . . . . . A A 10 PRO HG3 . 30828 1
80 . 1 . 1 10 10 PRO HD2 H 1 3.700 0.003 . . . . . A A 10 PRO HD2 . 30828 1
81 . 1 . 1 10 10 PRO HD3 H 1 3.788 0.004 . . . . . A A 10 PRO HD3 . 30828 1
82 . 1 . 1 10 10 PRO CB C 13 33.147 0.000 . . . . . A A 10 PRO CB . 30828 1
83 . 1 . 1 10 10 PRO CG C 13 27.168 0.000 . . . . . A A 10 PRO CG . 30828 1
84 . 1 . 1 10 10 PRO CD C 13 50.957 0.000 . . . . . A A 10 PRO CD . 30828 1
85 . 1 . 1 11 11 SER H H 1 8.527 0.000 . . . . . A A 11 SER H . 30828 1
86 . 1 . 1 11 11 SER HA H 1 4.077 0.003 . . . . . A A 11 SER HA . 30828 1
87 . 1 . 1 11 11 SER HB2 H 1 3.873 0.031 . . . . . A A 11 SER HB2 . 30828 1
88 . 1 . 1 11 11 SER HB3 H 1 3.873 0.031 . . . . . A A 11 SER HB3 . 30828 1
89 . 1 . 1 11 11 SER CB C 13 63.173 0.000 . . . . . A A 11 SER CB . 30828 1
90 . 1 . 1 11 11 SER N N 15 116.216 0.000 . . . . . A A 11 SER N . 30828 1
91 . 1 . 1 12 12 GLY H H 1 8.465 0.003 . . . . . A A 12 GLY H . 30828 1
92 . 1 . 1 12 12 GLY HA2 H 1 4.247 0.000 . . . . . A A 12 GLY HA2 . 30828 1
93 . 1 . 1 12 12 GLY HA3 H 1 3.712 0.003 . . . . . A A 12 GLY HA3 . 30828 1
94 . 1 . 1 12 12 GLY CA C 13 45.155 0.000 . . . . . A A 12 GLY CA . 30828 1
95 . 1 . 1 13 13 THR H H 1 7.482 0.003 . . . . . A A 13 THR H . 30828 1
96 . 1 . 1 13 13 THR HA H 1 4.259 0.006 . . . . . A A 13 THR HA . 30828 1
97 . 1 . 1 13 13 THR HB H 1 4.099 0.002 . . . . . A A 13 THR HB . 30828 1
98 . 1 . 1 13 13 THR HG21 H 1 1.287 0.004 . . . . . A A 13 THR HG21 . 30828 1
99 . 1 . 1 13 13 THR HG22 H 1 1.287 0.004 . . . . . A A 13 THR HG22 . 30828 1
100 . 1 . 1 13 13 THR HG23 H 1 1.287 0.004 . . . . . A A 13 THR HG23 . 30828 1
101 . 1 . 1 13 13 THR N N 15 114.548 0.000 . . . . . A A 13 THR N . 30828 1
102 . 1 . 1 14 14 CYS H H 1 8.437 0.004 . . . . . A A 14 CYS H . 30828 1
103 . 1 . 1 14 14 CYS HA H 1 5.541 0.003 . . . . . A A 14 CYS HA . 30828 1
104 . 1 . 1 14 14 CYS HB2 H 1 3.095 0.005 . . . . . A A 14 CYS HB2 . 30828 1
105 . 1 . 1 14 14 CYS HB3 H 1 2.269 0.003 . . . . . A A 14 CYS HB3 . 30828 1
106 . 1 . 1 14 14 CYS CA C 13 55.706 0.000 . . . . . A A 14 CYS CA . 30828 1
107 . 1 . 1 14 14 CYS CB C 13 48.603 0.000 . . . . . A A 14 CYS CB . 30828 1
108 . 1 . 1 14 14 CYS N N 15 122.096 0.000 . . . . . A A 14 CYS N . 30828 1
109 . 1 . 1 15 15 ALA H H 1 8.983 0.003 . . . . . A A 15 ALA H . 30828 1
110 . 1 . 1 15 15 ALA HA H 1 4.399 0.000 . . . . . A A 15 ALA HA . 30828 1
111 . 1 . 1 15 15 ALA HB1 H 1 0.875 0.002 . . . . . A A 15 ALA HB1 . 30828 1
112 . 1 . 1 15 15 ALA HB2 H 1 0.875 0.002 . . . . . A A 15 ALA HB2 . 30828 1
113 . 1 . 1 15 15 ALA HB3 H 1 0.875 0.002 . . . . . A A 15 ALA HB3 . 30828 1
114 . 1 . 1 15 15 ALA CB C 13 22.305 0.000 . . . . . A A 15 ALA CB . 30828 1
115 . 1 . 1 16 16 ASP H H 1 8.088 0.002 . . . . . A A 16 ASP H . 30828 1
116 . 1 . 1 16 16 ASP HA H 1 4.893 0.003 . . . . . A A 16 ASP HA . 30828 1
117 . 1 . 1 16 16 ASP HB2 H 1 2.589 0.003 . . . . . A A 16 ASP HB2 . 30828 1
118 . 1 . 1 16 16 ASP HB3 H 1 2.484 0.003 . . . . . A A 16 ASP HB3 . 30828 1
119 . 1 . 1 16 16 ASP CA C 13 52.634 0.000 . . . . . A A 16 ASP CA . 30828 1
120 . 1 . 1 16 16 ASP CB C 13 39.225 0.000 . . . . . A A 16 ASP CB . 30828 1
121 . 1 . 1 16 16 ASP N N 15 118.012 0.000 . . . . . A A 16 ASP N . 30828 1
122 . 1 . 1 17 17 PHE H H 1 8.088 0.003 . . . . . A A 17 PHE H . 30828 1
123 . 1 . 1 17 17 PHE HA H 1 4.653 0.000 . . . . . A A 17 PHE HA . 30828 1
124 . 1 . 1 17 17 PHE HB2 H 1 3.129 0.003 . . . . . A A 17 PHE HB2 . 30828 1
125 . 1 . 1 17 17 PHE HB3 H 1 3.018 0.003 . . . . . A A 17 PHE HB3 . 30828 1
126 . 1 . 1 17 17 PHE HD1 H 1 7.261 0.002 . . . . . A A 17 PHE HD1 . 30828 1
127 . 1 . 1 17 17 PHE HD2 H 1 7.261 0.002 . . . . . A A 17 PHE HD2 . 30828 1
128 . 1 . 1 17 17 PHE HE1 H 1 7.097 0.003 . . . . . A A 17 PHE HE1 . 30828 1
129 . 1 . 1 17 17 PHE HE2 H 1 7.097 0.003 . . . . . A A 17 PHE HE2 . 30828 1
130 . 1 . 1 17 17 PHE HZ H 1 6.957 0.003 . . . . . A A 17 PHE HZ . 30828 1
131 . 1 . 1 17 17 PHE CB C 13 39.746 0.000 . . . . . A A 17 PHE CB . 30828 1
132 . 1 . 1 17 17 PHE N N 15 122.973 0.000 . . . . . A A 17 PHE N . 30828 1
133 . 1 . 1 18 18 PRO HA H 1 4.506 0.002 . . . . . A A 18 PRO HA . 30828 1
134 . 1 . 1 18 18 PRO HB2 H 1 2.523 0.003 . . . . . A A 18 PRO HB2 . 30828 1
135 . 1 . 1 18 18 PRO HB3 H 1 1.975 0.002 . . . . . A A 18 PRO HB3 . 30828 1
136 . 1 . 1 18 18 PRO HG2 H 1 2.144 0.003 . . . . . A A 18 PRO HG2 . 30828 1
137 . 1 . 1 18 18 PRO HG3 H 1 2.094 0.003 . . . . . A A 18 PRO HG3 . 30828 1
138 . 1 . 1 18 18 PRO HD2 H 1 3.967 0.003 . . . . . A A 18 PRO HD2 . 30828 1
139 . 1 . 1 18 18 PRO HD3 H 1 3.705 0.003 . . . . . A A 18 PRO HD3 . 30828 1
140 . 1 . 1 18 18 PRO CB C 13 32.130 0.000 . . . . . A A 18 PRO CB . 30828 1
141 . 1 . 1 18 18 PRO CG C 13 27.764 0.000 . . . . . A A 18 PRO CG . 30828 1
142 . 1 . 1 18 18 PRO CD C 13 50.666 0.042 . . . . . A A 18 PRO CD . 30828 1
143 . 1 . 1 19 19 TRP H H 1 8.753 0.000 . . . . . A A 19 TRP H . 30828 1
144 . 1 . 1 19 19 TRP HA H 1 4.321 0.000 . . . . . A A 19 TRP HA . 30828 1
145 . 1 . 1 19 19 TRP HB2 H 1 3.366 0.003 . . . . . A A 19 TRP HB2 . 30828 1
146 . 1 . 1 19 19 TRP HB3 H 1 3.216 0.003 . . . . . A A 19 TRP HB3 . 30828 1
147 . 1 . 1 19 19 TRP HD1 H 1 7.318 0.003 . . . . . A A 19 TRP HD1 . 30828 1
148 . 1 . 1 19 19 TRP HE1 H 1 10.260 0.003 . . . . . A A 19 TRP HE1 . 30828 1
149 . 1 . 1 19 19 TRP HE3 H 1 7.464 0.003 . . . . . A A 19 TRP HE3 . 30828 1
150 . 1 . 1 19 19 TRP HZ2 H 1 7.511 0.003 . . . . . A A 19 TRP HZ2 . 30828 1
151 . 1 . 1 19 19 TRP HZ3 H 1 7.241 0.005 . . . . . A A 19 TRP HZ3 . 30828 1
152 . 1 . 1 19 19 TRP HH2 H 1 7.138 0.003 . . . . . A A 19 TRP HH2 . 30828 1
153 . 1 . 1 19 19 TRP CB C 13 29.103 0.000 . . . . . A A 19 TRP CB . 30828 1
154 . 1 . 1 19 19 TRP N N 15 125.175 0.000 . . . . . A A 19 TRP N . 30828 1
155 . 1 . 1 20 20 PRO HA H 1 3.311 0.002 . . . . . A A 20 PRO HA . 30828 1
156 . 1 . 1 20 20 PRO HB2 H 1 1.596 0.009 . . . . . A A 20 PRO HB2 . 30828 1
157 . 1 . 1 20 20 PRO HB3 H 1 0.263 0.003 . . . . . A A 20 PRO HB3 . 30828 1
158 . 1 . 1 20 20 PRO HG2 H 1 1.215 0.003 . . . . . A A 20 PRO HG2 . 30828 1
159 . 1 . 1 20 20 PRO HG3 H 1 1.428 0.003 . . . . . A A 20 PRO HG3 . 30828 1
160 . 1 . 1 20 20 PRO HD2 H 1 3.246 0.000 . . . . . A A 20 PRO HD2 . 30828 1
161 . 1 . 1 20 20 PRO HD3 H 1 3.154 0.003 . . . . . A A 20 PRO HD3 . 30828 1
162 . 1 . 1 20 20 PRO CA C 13 62.982 0.000 . . . . . A A 20 PRO CA . 30828 1
163 . 1 . 1 20 20 PRO CB C 13 32.527 0.000 . . . . . A A 20 PRO CB . 30828 1
164 . 1 . 1 20 20 PRO CG C 13 23.918 0.000 . . . . . A A 20 PRO CG . 30828 1
165 . 1 . 1 20 20 PRO CD C 13 49.553 0.000 . . . . . A A 20 PRO CD . 30828 1
166 . 1 . 1 21 21 LEU H H 1 8.135 0.002 . . . . . A A 21 LEU H . 30828 1
167 . 1 . 1 21 21 LEU HA H 1 3.975 0.000 . . . . . A A 21 LEU HA . 30828 1
168 . 1 . 1 21 21 LEU HB2 H 1 1.689 0.003 . . . . . A A 21 LEU HB2 . 30828 1
169 . 1 . 1 21 21 LEU HB3 H 1 1.278 0.003 . . . . . A A 21 LEU HB3 . 30828 1
170 . 1 . 1 21 21 LEU HG H 1 1.355 0.003 . . . . . A A 21 LEU HG . 30828 1
171 . 1 . 1 21 21 LEU HD11 H 1 0.567 0.003 . . . . . A A 21 LEU HD11 . 30828 1
172 . 1 . 1 21 21 LEU HD12 H 1 0.567 0.003 . . . . . A A 21 LEU HD12 . 30828 1
173 . 1 . 1 21 21 LEU HD13 H 1 0.567 0.003 . . . . . A A 21 LEU HD13 . 30828 1
174 . 1 . 1 21 21 LEU HD21 H 1 0.467 0.003 . . . . . A A 21 LEU HD21 . 30828 1
175 . 1 . 1 21 21 LEU HD22 H 1 0.467 0.003 . . . . . A A 21 LEU HD22 . 30828 1
176 . 1 . 1 21 21 LEU HD23 H 1 0.467 0.003 . . . . . A A 21 LEU HD23 . 30828 1
177 . 1 . 1 21 21 LEU CB C 13 42.426 0.000 . . . . . A A 21 LEU CB . 30828 1
178 . 1 . 1 21 21 LEU CG C 13 27.466 0.000 . . . . . A A 21 LEU CG . 30828 1
179 . 1 . 1 21 21 LEU N N 15 126.073 0.000 . . . . . A A 21 LEU N . 30828 1
180 . 1 . 1 22 22 GLY H H 1 6.756 0.003 . . . . . A A 22 GLY H . 30828 1
181 . 1 . 1 22 22 GLY HA2 H 1 3.910 0.003 . . . . . A A 22 GLY HA2 . 30828 1
182 . 1 . 1 22 22 GLY HA3 H 1 3.783 0.003 . . . . . A A 22 GLY HA3 . 30828 1
183 . 1 . 1 22 22 GLY CA C 13 46.048 0.000 . . . . . A A 22 GLY CA . 30828 1
184 . 1 . 1 22 22 GLY N N 15 104.536 0.000 . . . . . A A 22 GLY N . 30828 1
185 . 1 . 1 23 23 HIS H H 1 8.446 0.003 . . . . . A A 23 HIS H . 30828 1
186 . 1 . 1 23 23 HIS HA H 1 5.108 0.003 . . . . . A A 23 HIS HA . 30828 1
187 . 1 . 1 23 23 HIS HB2 H 1 3.206 0.003 . . . . . A A 23 HIS HB2 . 30828 1
188 . 1 . 1 23 23 HIS HB3 H 1 3.113 0.009 . . . . . A A 23 HIS HB3 . 30828 1
189 . 1 . 1 23 23 HIS HD2 H 1 7.190 0.003 . . . . . A A 23 HIS HD2 . 30828 1
190 . 1 . 1 23 23 HIS HE1 H 1 8.517 0.003 . . . . . A A 23 HIS HE1 . 30828 1
191 . 1 . 1 23 23 HIS CA C 13 56.272 0.000 . . . . . A A 23 HIS CA . 30828 1
192 . 1 . 1 23 23 HIS CB C 13 28.161 0.000 . . . . . A A 23 HIS CB . 30828 1
193 . 1 . 1 23 23 HIS N N 15 121.669 0.000 . . . . . A A 23 HIS N . 30828 1
194 . 1 . 1 24 24 GLN H H 1 8.631 0.002 . . . . . A A 24 GLN H . 30828 1
195 . 1 . 1 24 24 GLN HA H 1 4.344 0.000 . . . . . A A 24 GLN HA . 30828 1
196 . 1 . 1 24 24 GLN HB2 H 1 1.531 0.003 . . . . . A A 24 GLN HB2 . 30828 1
197 . 1 . 1 24 24 GLN HB3 H 1 1.444 0.003 . . . . . A A 24 GLN HB3 . 30828 1
198 . 1 . 1 24 24 GLN HG2 H 1 2.093 0.002 . . . . . A A 24 GLN HG2 . 30828 1
199 . 1 . 1 24 24 GLN HG3 H 1 1.756 0.003 . . . . . A A 24 GLN HG3 . 30828 1
200 . 1 . 1 24 24 GLN HE21 H 1 7.442 0.002 . . . . . A A 24 GLN HE21 . 30828 1
201 . 1 . 1 24 24 GLN HE22 H 1 6.510 0.003 . . . . . A A 24 GLN HE22 . 30828 1
202 . 1 . 1 24 24 GLN CA C 13 53.846 0.000 . . . . . A A 24 GLN CA . 30828 1
203 . 1 . 1 24 24 GLN CB C 13 32.998 0.000 . . . . . A A 24 GLN CB . 30828 1
204 . 1 . 1 24 24 GLN CG C 13 32.279 0.000 . . . . . A A 24 GLN CG . 30828 1
205 . 1 . 1 24 24 GLN N N 15 125.475 0.000 . . . . . A A 24 GLN N . 30828 1
206 . 1 . 1 25 25 CYS H H 1 8.048 0.002 . . . . . A A 25 CYS H . 30828 1
207 . 1 . 1 25 25 CYS HA H 1 5.053 0.003 . . . . . A A 25 CYS HA . 30828 1
208 . 1 . 1 25 25 CYS HB2 H 1 2.765 0.006 . . . . . A A 25 CYS HB2 . 30828 1
209 . 1 . 1 25 25 CYS HB3 H 1 2.695 0.003 . . . . . A A 25 CYS HB3 . 30828 1
210 . 1 . 1 25 25 CYS CA C 13 55.032 0.000 . . . . . A A 25 CYS CA . 30828 1
211 . 1 . 1 25 25 CYS CB C 13 46.966 0.000 . . . . . A A 25 CYS CB . 30828 1
212 . 1 . 1 25 25 CYS N N 15 117.007 0.000 . . . . . A A 25 CYS N . 30828 1
213 . 1 . 1 26 26 PHE H H 1 8.442 0.003 . . . . . A A 26 PHE H . 30828 1
214 . 1 . 1 26 26 PHE HA H 1 5.034 0.003 . . . . . A A 26 PHE HA . 30828 1
215 . 1 . 1 26 26 PHE HB2 H 1 2.852 0.003 . . . . . A A 26 PHE HB2 . 30828 1
216 . 1 . 1 26 26 PHE HB3 H 1 2.852 0.003 . . . . . A A 26 PHE HB3 . 30828 1
217 . 1 . 1 26 26 PHE HD1 H 1 7.037 0.003 . . . . . A A 26 PHE HD1 . 30828 1
218 . 1 . 1 26 26 PHE HD2 H 1 7.037 0.003 . . . . . A A 26 PHE HD2 . 30828 1
219 . 1 . 1 26 26 PHE HE1 H 1 6.677 0.003 . . . . . A A 26 PHE HE1 . 30828 1
220 . 1 . 1 26 26 PHE HE2 H 1 6.677 0.003 . . . . . A A 26 PHE HE2 . 30828 1
221 . 1 . 1 26 26 PHE HZ H 1 6.513 0.004 . . . . . A A 26 PHE HZ . 30828 1
222 . 1 . 1 26 26 PHE CA C 13 55.194 0.000 . . . . . A A 26 PHE CA . 30828 1
223 . 1 . 1 26 26 PHE CB C 13 39.101 0.000 . . . . . A A 26 PHE CB . 30828 1
224 . 1 . 1 26 26 PHE N N 15 118.525 0.000 . . . . . A A 26 PHE N . 30828 1
225 . 1 . 1 27 27 PRO HA H 1 4.265 0.000 . . . . . A A 27 PRO HA . 30828 1
226 . 1 . 1 27 27 PRO HB2 H 1 2.381 0.003 . . . . . A A 27 PRO HB2 . 30828 1
227 . 1 . 1 27 27 PRO HB3 H 1 1.946 0.003 . . . . . A A 27 PRO HB3 . 30828 1
228 . 1 . 1 27 27 PRO HG2 H 1 2.041 0.003 . . . . . A A 27 PRO HG2 . 30828 1
229 . 1 . 1 27 27 PRO HG3 H 1 2.010 0.000 . . . . . A A 27 PRO HG3 . 30828 1
230 . 1 . 1 27 27 PRO HD2 H 1 3.920 0.002 . . . . . A A 27 PRO HD2 . 30828 1
231 . 1 . 1 27 27 PRO HD3 H 1 3.607 0.003 . . . . . A A 27 PRO HD3 . 30828 1
232 . 1 . 1 27 27 PRO CA C 13 63.636 0.000 . . . . . A A 27 PRO CA . 30828 1
233 . 1 . 1 27 27 PRO CB C 13 32.180 0.000 . . . . . A A 27 PRO CB . 30828 1
234 . 1 . 1 27 27 PRO CG C 13 27.292 0.000 . . . . . A A 27 PRO CG . 30828 1
235 . 1 . 1 27 27 PRO CD C 13 50.832 0.000 . . . . . A A 27 PRO CD . 30828 1
236 . 1 . 1 28 28 ASP H H 1 8.799 0.002 . . . . . A A 28 ASP H . 30828 1
237 . 1 . 1 28 28 ASP HA H 1 5.178 0.003 . . . . . A A 28 ASP HA . 30828 1
238 . 1 . 1 28 28 ASP HB2 H 1 3.108 0.003 . . . . . A A 28 ASP HB2 . 30828 1
239 . 1 . 1 28 28 ASP HB3 H 1 2.729 0.006 . . . . . A A 28 ASP HB3 . 30828 1
240 . 1 . 1 28 28 ASP CA C 13 51.825 0.000 . . . . . A A 28 ASP CA . 30828 1
241 . 1 . 1 28 28 ASP CB C 13 39.151 0.000 . . . . . A A 28 ASP CB . 30828 1
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